Dear PyMol users!
I'm looking for python script which would perform the
1- loading ensemble of the pdbs to the pymol (assuming that it could be
done by loadDir script)
2- Perform structural alighnemnt of all loaded structures against reference
0.pdb by means of buit-in TMalighn module
this could be done by means of for loop I suppose
3- wtite to the ./output the pdbs which are differ agains reference
(0.pdb) strongly on the selected RMSD value (e.g I have 100 structures
extrracted from MD trajectory. I define in my script rmds=1.0 and I'd like
that the only structures have been writed to the ./output wich have 1 A, 2
A, 3 A (value differ on the 1 A as defined in script) etc rmsd agains
reference (0.pdb). As the result I'd like to select only small part of the
conformers with the uniform RSMD difference
Don't known how to script it :)
Thanks for any usefull examples,
James
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